N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxy-2-propylindazole-6-carboxamide

C22H25N3O2 — CID 11958425

IUPACN-(2,3-dihydro-1H-inden-1-yl)-3-ethoxy-2-propylindazole-6-carboxamide
SMILESCCCn1nc2cc(C(=O)NC3CCc4ccccc43)ccc2c1OCC
InChIInChI=1S/C22H25N3O2/c1-3-13-25-22(27-4-2)18-11-9-16(14-20(18)24-25)21(26)23-19-12-10-15-7-5-6-8-17(15)19/h5-9,11,14,19H,3-4,10,12-13H2,1-2H3,(H,23,26)
InChIKeyLZUPOYCNCCUXDA-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.26
Rot. Bonds6

About N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxy-2-propylindazole-6-carboxamide

N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxy-2-propylindazole-6-carboxamide (PubChem CID 11958425) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxy-2-propylindazole-6-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-3-ethoxy-2-propylindazole-6-carboxamide
PubChem CID11958425
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-3-ethoxy-2-propylindazole-6-carboxamide
SMILESCCCn1nc2cc(C(=O)NC3CCc4ccccc43)ccc2c1OCC
InChIInChI=1S/C22H25N3O2/c1-3-13-25-22(27-4-2)18-11-9-16(14-20(18)24-25)21(26)23-19-12-10-15-7-5-6-8-17(15)19/h5-9,11,14,19H,3-4,10,12-13H2,1-2H3,(H,23,26)
InChIKeyLZUPOYCNCCUXDA-UHFFFAOYSA-N
XLogP4.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxy-2-propylindazole-6-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxy-2-propylindazole-6-carboxamide (CID 11958425) is N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxy-2-propylindazole-6-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxy-2-propylindazole-6-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxy-2-propylindazole-6-carboxamide is CCCn1nc2cc(C(=O)NC3CCc4ccccc43)ccc2c1OCC.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxy-2-propylindazole-6-carboxamide?
The InChIKey is LZUPOYCNCCUXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-3-13-25-22(27-4-2)18-11-9-16(14-20(18)24-25)21(26)23-19-12-10-15-7-5-6-8-17(15)19/h5-9,11,14,19H,3-4,10,12-13H2,1-2H3,(H,23,26).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxy-2-propylindazole-6-carboxamide?
N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxy-2-propylindazole-6-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxy-2-propylindazole-6-carboxamide is sourced from PubChem (CID 11958425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).